4-Fluoroaniline
Properties
- Molecular formula
- C6H6FN
- Molar mass
- 111.12 g/mol
- Exact mass
- 111.0484 Da
- Density
- 1.1725 g/mL (at 20 °C)
- Melting point
- −1.9 °C
- Boiling point
- 188 °C
- pKa
- 4.65 (conjugate acid, 25 °C)
- Flash point
- 73.9 °C
- Water solubility
- 33 g/L (20 °C)
- logP
- 1.41Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed98% of notifiers
- H314 Causes severe skin burns and eye damage96.6% of notifiers
- H318 Causes serious eye damage74% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure56.9% of notifiers
- H400 Very toxic to aquatic life72.5% of notifiers
- H410 Very toxic to aquatic life with long lasting effects73% of notifiers
Aggregated from 204 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P391, P405, P501
Identifiers
CAS number
371-40-4SMILES
Nc1ccc(F)cc1InChIKey
KRZCOLNOCZKSDF-UHFFFAOYSA-NInChI
InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Benzenamine, 4-fluoro-
- Aniline, p-fluoro-
- 4-Fluorobenzenamine
- p-Fluoroaniline
- p-Fluorophenylamine
- 1-Amino-4-fluorobenzene
- 4-Fluorophenylamine
- NSC 579
- 4-Fluoro-1-benzenamine
Work with 4-Fluoroaniline
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
4′-Fluoro[1,1′-biphenyl]-4-amine324-93-683 % similar
P-Phenylenediamine106-50-360 % similar
1,4-Difluorobenzene540-36-360 % similar
4'-Fluoro(1,1'-biphenyl)-3-amine10540-45-150 % similar
4,4''-Diaminoterphenyl3365-85-350 % similar
3,5-Difluoroaniline372-39-450 % similar
4,4′-Difluorobiphenyl398-23-250 % similar
1,4-Diaminobenzene dihydrochloride624-18-050 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.